SCHEMBL8871835

SCHEMBL8871835

O=C(Nc1cccc(Cl)c1)Oc1ccc(C2CCCN2CCN2CCCCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
MAPT P10636 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MET P08581 1/20 0.43
POLB P06746 1/20 0.43
FAAH O00519 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
HRH3 Q9Y5N1 3/20 0.42
HSD17B10 Q99714 1/20 0.42
RECQL P46063 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8871798 0.88 KDM4E (0.45) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL8871221 0.83 MEN1 (0.47) ALDH1A1MAPTMEN1KMT2AHRH3
SCHEMBL8873578 0.82 BCHE (0.47) ALDH1A1MEN1KMT2APOLBFAAH
SCHEMBL5176746 0.80 HRH3 (0.60) ALDH1A1MEN1KMT2AMETHRH3
SCHEMBL8539481 0.80 ACHE (0.42) ALDH1A1MAPTPOLBHRH3
SCHEMBL8872401 0.79 LIPE (0.52) HRH3
SCHEMBL8545468 0.79 LIPE (0.52) HRH3
SCHEMBL8543205 0.76 LIPE (0.53) ALDH1A1HRH3
SCHEMBL8872006 0.73 GAA (0.47) ALDH1A1MEN1KMT2AHTTNPSR1
SCHEMBL10615926 0.73 FAAH (0.56) ALDH1A1MAPTPOLBFAAH

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5591856-A CHEMICAL INTERMEDIATES, TREATMENT OF ALZHEIMER'S DISEASE HOECHST ROUSSEL PHARMACEUTICALS INC. (US) 1997-01-07 US disclosed
US-5554750-A TO RELIEVE MEMORY DYSFUNCTIONS; TREATMENT OF ALZHEMER*S HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1996-09-10 US disclosed
EP-0671388-A1 (Pyrrolidinyl)phenyl carbamates and intermediate compounds, processes for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1995-09-13 EP disclosed
US-5405845-A Administering to relieve memory dysfunction; treatment of Alzheimer's disease HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1995-04-11 US disclosed
US-5338739-A Memory dysfunction relieving compounds HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-08-16 US disclosed